N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C19H20BrN5OS MolecularWeight: 446.364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Br)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Br)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C19H20BrN5OS/c20-16-5-3-4-14(12-16)13-21-17(26)15-6-10-25(11-7-15)19-23-22-18(27-19)24-8-1-2-9-24/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,21,26)